import math
import numpy 

import ljones

class LJones:

    def __init__(self, e = 1.0, s = 1.0):
        self.e = e
        self.s = s
    
    def energy(self, s):
        s.u = ljones.energy(s.r.ravel().tolist(), self.e, self.s)

    def force(self, s):
        f = ljones.force(s.r.ravel().tolist(), self.e, self.s)
        s.f = numpy.array(f).reshape((len(f) / 3, 3))
        
        
        
        
        
        
        
        
        
        
        
        
        
        
        


    


